@MOLECULE 5-nitro-1,2-benzoxazole-3-carboxylic acid 19 20 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5624 2.2618 0.0002 O.2 1 UNL1111111111 0.0429 2 O 3.9557 -1.0967 -0.0011 O.3 1 UNL1111111111 -0.4928 3 O 2.0645 -2.2969 0.0010 O.2 1 UNL1111111111 -0.4594 4 O -4.1439 -0.2548 0.0006 O.2 1 UNL1111111111 -0.3983 5 O -2.9131 -2.0211 -0.0007 O.2 1 UNL1111111111 -0.3811 6 N 2.5183 1.2702 0.0003 N.ar 1 UNL1111111111 -0.1012 7 N -3.0579 -0.8111 -0.0001 N.pl3 1 UNL1111111111 0.6293 8 C 0.4922 0.2453 0.0001 C.ar 1 UNL1111111111 -0.1459 9 C 0.3207 1.6528 -0.0000 C.ar 1 UNL1111111111 0.0984 10 C -0.6124 -0.5959 0.0001 C.ar 1 UNL1111111111 0.0063 11 C 1.9397 0.0820 0.0003 C.ar 1 UNL1111111111 -0.0235 12 C -1.8632 0.0225 -0.0001 C.ar 1 UNL1111111111 -0.1274 13 C -0.9248 2.2694 -0.0003 C.ar 1 UNL1111111111 -0.2123 14 C -2.0257 1.4257 -0.0004 C.ar 1 UNL1111111111 -0.0314 15 C 2.6143 -1.2266 0.0002 C.2 1 UNL1111111111 0.6406 16 H -0.4992 -1.6904 0.0002 H 1 UNL1111111111 0.2154 17 H -1.0282 3.3520 -0.0005 H 1 UNL1111111111 0.1867 18 H -3.0414 1.8456 -0.0007 H 1 UNL1111111111 0.1946 19 H 4.4302 -1.9735 -0.0013 H 1 UNL1111111111 0.3590 @BOND 1 1 6 ar 2 1 9 ar 3 2 15 1 4 2 19 1 5 3 15 2 6 4 7 2 7 5 7 2 8 6 11 ar 9 7 12 1 10 8 9 ar 11 8 10 ar 12 8 11 ar 13 9 13 ar 14 10 12 ar 15 10 16 1 16 11 15 1 17 12 14 ar 18 13 14 ar 19 13 17 1 20 14 18 1